SCHEMBL8409728

SCHEMBL8409728

Cc1c(CN(CCCO)CCCO)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
HSPA5 P11021 2/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 6/20 0.36
CYP2C9 P11712 5/20 0.36
HIF1A Q16665 5/20 0.36
CA2 P00918 2/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 3/20 0.34
TP53 P04637 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8407764 0.96 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL8410579 0.92 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL7944844 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL8397272 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL7941116 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL8410735 0.80 HSPA5 (0.57) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL8410571 0.80 HTT (0.51) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL9416923 0.79 CYP2C19 (0.47) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL28492613 0.77 HSPA5 (0.43) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL8408017 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed